Debug Info

object
{15}
_id
:
FwXVOK6Cj1Q
spectrumID
:
FwXVOK6Cj1Q
cost
:
1
specType
:
262144
xnmrNucleus
:
0
dbLocation
:
MET3X:418:2
hasStructureAssignments
:
false
properties
{16}
analyticalTechnique
:
13C NMR
analyticalTechniqueLongName
:
13C Nuclear Magnetic Resonance (NMR) Spectrum
isFullSpectrum
:
true
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

Logged In :

Authorized Features

  • None
  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
ADVERTISEMENT
3-(2-Hydroxyphenyl)propionic acid
SpectraBase Compound ID FyLce3oKmUA
InChI InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKey CJBDUOMQLFKVQC-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol
ADVERTISEMENT

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FwXVOK6Cj1Q
Name 3-(2-Hydroxyphenyl)propionic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 495-78-3
ChEBI ID 16104
Comments 100 mM 3-(2-Hydroxyphenyl)propionic acid - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C9 H10 O3
IUPAC Name 3-(2-hydroxyphenyl)propanoic acid; 3-(2-hydroxyphenyl)propionic acid
InChI InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKey CJBDUOMQLFKVQC-UHFFFAOYSA-N
KEGG Compound ID C01198
KEGG Pathways PATH: ko00360 Phenylalanine metabolism PATH: ko00628 Fluorene degradation
PubChem Compound ID 873
SMILES C1=CC=C(C(=C1)CCC(=O)O)O
Source File Reference bmse000331
ADVERTISEMENT